ZnNiP
Alexandria ALEXAlex-ID: agm002123792 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_623_spg74
Zn11Ni2 Zn3P2 Ni2P
2021-11-12 23:30:23.671427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002123792).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm002123792
data_agm002123792
_cell_length_a 5.86566
_cell_length_b 5.86532
_cell_length_c 5.80444
_cell_angle_alpha 90.00000
_cell_angle_beta 121.76914
_cell_angle_gamma 90.00000
_cell_volume 169.77644
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn1 Zn 0.48440 0.35569 0.31662 1.00000
Zn2 Zn 0.98440 0.64431 0.81662 1.00000
Zn3 Zn 0.48440 0.85569 0.81662 1.00000
Zn4 Zn 0.98440 0.14431 0.31662 1.00000
Ni1 Ni 0.18416 0.02750 0.02562 1.00000
Ni2 Ni 0.68416 0.97250 0.52562 1.00000
Ni3 Ni 0.18416 0.52750 0.52562 1.00000
Ni4 Ni 0.68416 0.47250 0.02562 1.00000
P1 P 0.83266 0.75585 0.32173 1.00000
P2 P 0.33266 0.24415 0.82173 1.00000
P3 P 0.83266 0.25585 0.82173 1.00000
P4 P 0.33266 0.74415 0.32173 1.00000
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